4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-N-(2-phenylmethoxyethyl)benzenesulfonamide

Systemtic Name: 4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-N-(2-phenylmethoxyethyl)benzenesulfonamide Openeye Name: N-(2-benzyloxyethyl)-4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]benzenesulfonamide CAS Name: 4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-N-(2-phenylmethoxyethyl)benzenesulfonamide IUPAC Name: 4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-N-(2-phenylmethoxyethyl)benzenesulfonamide Traditional Name: N-(2-benzoxyethyl)-4-[1-(4-ethylpiperazino)-3-isoquinolyl]benzenesulfonamide Formula: C30H34N4O3S MolecularWeight: 530.68096

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)S(=O)(=O)NCCOCC5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)S(=O)(=O)NCCOCC5=CC=CC=C5

InChI

InChI=1S/C30H34N4O3S/c1-2-33-17-19-34(20-18-33)30-28-11-7-6-10-26(28)22-29(32-30)25-12-14-27(15-13-25)38(35,36)31-16-21-37-23-24-8-4-3-5-9-24/h3-15,22,31H,2,16-21,23H2,1H3